(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

C29H35N3O3 — CID 92721776

About (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92721776) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 92721776
• Molecular Formula: C29H35N3O3
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.27
• IUPAC Name: (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: CCCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1
• InChI: InChI=1S/C29H35N3O3/c1-3-17-35-24-15-13-21(14-16-24)19-32-27(33)26-18-22-9-7-8-12-25(22)31(26)20-29(32,2)28(34)30-23-10-5-4-6-11-23/h7-9,12-16,18,23H,3-6,10-11,17,19-20H2,1-2H3,(H,30,34)/t29-/m1/s1
• InChIKey: XUHUTVYJSUGVCC-GDLZYMKVSA-N
• XLogP: 5.29
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?

The IUPAC name of (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92721776) is (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.

What is the SMILES notation for (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?

The canonical SMILES for (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is CCCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1.

What is the InChIKey of (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?

The InChIKey is XUHUTVYJSUGVCC-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-3-17-35-24-15-13-21(14-16-24)19-32-27(33)26-18-22-9-7-8-12-25(22)31(26)20-29(32,2)28(34)30-23-10-5-4-6-11-23/h7-9,12-16,18,23H,3-6,10-11,17,19-20H2,1-2H3,(H,30,34)/t29-/m1/s1.

What are the key properties of (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?

(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92721776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).